Sugi Predict

Sugi Predict / Compounds / SCHEMBL13621102

SCHEMBL13621102

SCHEMBL13621102

CC(C)(C)OC(=O)NCCCOc1ccc(/C=C/CCN=[N+]=[N-])c2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ KDM4E B2RXH2 6/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13730416 0.84 SCN9A (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL706941 0.81 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL13620858 0.80 CA1 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL10110801 0.77 DRD2 (0.48) CA12CA1CA2CA9TDP1
SCHEMBL13621101 0.76 SCN9A (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL16572306 0.71 CA1 (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL709548 0.70 CA1 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL6927334 0.69 METAP2 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL15036905 0.69 CA12 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL13752093 0.68 TDP1 (0.56) CA12CA1CA2CA9TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 — — US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 — — US disclosed
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 — — WO disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 CA12 1671/4885CA1 1098/4885CA2 148/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B CA12 1711/4885CA1 1417/4885CA2 157/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B CA12 1711/4885CA1 1417/4885CA2 157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.